N-(2-aminocyclohexyl)-2-[8-(naphthalen-1-ylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide;bis(2,2,2-trifluoroacetic acid)

C36H41F6N5O6 — CID 10123163

About N-(2-aminocyclohexyl)-2-[8-(naphthalen-1-ylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide;bis(2,2,2-trifluoroacetic acid)

N-(2-aminocyclohexyl)-2-[8-(naphthalen-1-ylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 10123163) has the molecular formula C36H41F6N5O6 and a molecular weight of 753.74 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-2-[8-(naphthalen-1-ylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: N-(2-aminocyclohexyl)-2-[8-(naphthalen-1-ylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 10123163
• Molecular Formula: C36H41F6N5O6
• Molecular Weight: 753.74 g/mol
• Exact Mass: 753.30
• IUPAC Name: N-(2-aminocyclohexyl)-2-[8-(naphthalen-1-ylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide;bis(2,2,2-trifluoroacetic acid)
• SMILES: NC1CCCCC1NC(=O)CN1CN(c2ccccc2)C2(CCN(Cc3cccc4ccccc34)CC2)C1=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C32H39N5O2.2C2HF3O2/c33-28-15-6-7-16-29(28)34-30(38)22-36-23-37(26-12-2-1-3-13-26)32(31(36)39)17-19-35(20-18-32)21-25-11-8-10-24-9-4-5-14-27(24)25;2*3-2(4,5)1(6)7/h1-5,8-14,28-29H,6-7,15-23,33H2,(H,34,38);2*(H,6,7)
• InChIKey: GHPSBAIEUYKBNK-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 156.51 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	753.74
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-2-[8-(naphthalen-1-ylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of N-(2-aminocyclohexyl)-2-[8-(naphthalen-1-ylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide;bis(2,2,2-trifluoroacetic acid) (CID 10123163) is N-(2-aminocyclohexyl)-2-[8-(naphthalen-1-ylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for N-(2-aminocyclohexyl)-2-[8-(naphthalen-1-ylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for N-(2-aminocyclohexyl)-2-[8-(naphthalen-1-ylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide;bis(2,2,2-trifluoroacetic acid) is NC1CCCCC1NC(=O)CN1CN(c2ccccc2)C2(CCN(Cc3cccc4ccccc34)CC2)C1=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of N-(2-aminocyclohexyl)-2-[8-(naphthalen-1-ylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is GHPSBAIEUYKBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N5O2.2C2HF3O2/c33-28-15-6-7-16-29(28)34-30(38)22-36-23-37(26-12-2-1-3-13-26)32(31(36)39)17-19-35(20-18-32)21-25-11-8-10-24-9-4-5-14-27(24)25;2*3-2(4,5)1(6)7/h1-5,8-14,28-29H,6-7,15-23,33H2,(H,34,38);2*(H,6,7).

What are the key properties of N-(2-aminocyclohexyl)-2-[8-(naphthalen-1-ylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide;bis(2,2,2-trifluoroacetic acid)?

N-(2-aminocyclohexyl)-2-[8-(naphthalen-1-ylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 753.74 g/mol, XLogP of 5.13, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminocyclohexyl)-2-[8-(naphthalen-1-ylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 10123163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).